(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol

C13H17NO — CID 129368573

IUPAC(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-13-8-10-14(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+/t13-/m1/s1
InChIKeyRGKWQXFCTXCITQ-WXJAXGNASA-N
MW203.29 g/mol
LogP1.77
Rot. Bonds3

About (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol

(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol (PubChem CID 129368573) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
PubChem CID129368573
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-13-8-10-14(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+/t13-/m1/s1
InChIKeyRGKWQXFCTXCITQ-WXJAXGNASA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
(3R)-1-[(Z)-2-methyl-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 86781785
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
2-methyl-4-(3-phenylprop-2-enyl)morpholine
CID 165349535
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]ethanamine
CID 63845047

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol (CID 129368573) is (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol is O[C@@H]1CCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol?
The InChIKey is RGKWQXFCTXCITQ-WXJAXGNASA-N. The full InChI is InChI=1S/C13H17NO/c15-13-8-10-14(11-13)9-4-7-12-5-2-1-3-6-12/h1-7,13,15H,8-11H2/b7-4+/t13-/m1/s1.
What are the key properties of (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol?
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 129368573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).